SCHEMBL6422075

SCHEMBL6422075

CC(C)(C)OC(=O)N1CCN(C2CCCc3cccnc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.57
FNTB P49356 8/20 0.57
POLB P06746 1/20 0.50
GPR119 Q8TDV5 3/20 0.49
DTYMK P23919 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CXCR4 P61073 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16175115 1.00 FNTA (0.57) FNTAFNTBPOLBGPR119DTYMK
SCHEMBL9932845 1.00 FNTA (0.57) FNTAFNTBPOLBGPR119DTYMK
SCHEMBL9934271 0.94 FNTA (0.58) FNTAFNTBPOLBGPR119DTYMK
SCHEMBL9963094 0.94 FNTA (0.58) FNTAFNTBPOLBGPR119DTYMK
SCHEMBL9934506 0.83 FNTA (0.44) FNTAFNTBCXCR4
SCHEMBL6423382 0.81 CHRNA7 (0.51) GPR119NPC1RAB9A
SCHEMBL2084608 0.81 FNTA (0.51) FNTAFNTBPOLBGPR119NPC1
SCHEMBL6421368 0.78 CHRNA7 (0.50) FNTAFNTBGPR119NPC1RAB9A
SCHEMBL6421652 0.78 GPR119 (0.47) FNTAFNTBGPR119NPC1RAB9A
SCHEMBL21744569 0.78 CXCR4 (0.48) FNTAFNTBPOLBCXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
CN-1129578-C Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA (JP) 2003-12-03 CN disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
CN-1286683-A Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA (JP) 2001-03-07 CN disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed